Diethyl 2-(4-nitro-1-oxidoquinolin-1-ium-3-yl)propanedioate
TL;DR: Diethyl 2-(4-nitro-1-oxidoquinolin-1-ium-3-yl)propanedioate (CAS 1100-20-5) is a chemical compound with molecular formula C16H16N2O7 and molecular weight 348.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(4-nitro-1-oxidoquinolin-1-ium-3-yl)propanedioate
Also Known As: 3-Quinolinemalonic acid, diethyl ester, 1-oxide, diethyl 2-(4-nitro-1-oxidoquinolin-1-ium-3-yl)propanedioate, Diethyl 2-(4-nitro-1-oxido-quinolin-3-yl)propanedioate, Diethyl (4-nitro-1-oxo-1lambda~5~-quinolin-3-yl)propanedioate
| Molecular Formula | C16H16N2O7 |
|---|---|
| Molecular Weight | 348.10 g/mol |
| LogP | 1.5912 |
| Topological Polar Surface Area | 122.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.09576 |
| Heavy Atoms | 25 |
| Complexity | 816.5882 |
Chemical Identifiers
| CAS Number | 1100-20-5 |
|---|---|
| SMILES | CCOC(=O)C(C1=C(C2=CC=CC=C2[N+](=C1)[O-])[N+](=O)[O-])C(=O)OCC |
Product Overview
Diethyl 2-(4-nitro-1-oxidoquinolin-1-ium-3-yl)propanedioate (CAS 1100-20-5), with molecular formula C16H16N2O7 and molecular weight 348.10 g/mol. IUPAC: diethyl 2-(4-nitro-1-oxidoquinolin-1-ium-3-yl)propanedioate.
Chemical Property Profile of Diethyl 2-(4-nitro-1-oxidoquinolin-1-ium-3-yl)propanedioate
Property Insights of Diethyl 2-(4-nitro-1-oxidoquinolin-1-ium-3-yl)propanedioate
The XLogP value of 1.5912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(4-nitro-1-oxidoquinolin-1-ium-3-yl)propanedioate. The TPSA of 122.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(4-nitro-1-oxidoquinolin-1-ium-3-yl)propanedioate. Following Lipinski's Rule of Five, Diethyl 2-(4-nitro-1-oxidoquinolin-1-ium-3-yl)propanedioate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl 2-(4-nitro-1-oxidoquinolin-1-ium-3-yl)propanedioate?
The CAS number of Diethyl 2-(4-nitro-1-oxidoquinolin-1-ium-3-yl)propanedioate is 1100-20-5.
What is the molecular formula of Diethyl 2-(4-nitro-1-oxidoquinolin-1-ium-3-yl)propanedioate?
The molecular formula of Diethyl 2-(4-nitro-1-oxidoquinolin-1-ium-3-yl)propanedioate is C16H16N2O7.
What is the molecular weight of Diethyl 2-(4-nitro-1-oxidoquinolin-1-ium-3-yl)propanedioate?
The molecular weight of Diethyl 2-(4-nitro-1-oxidoquinolin-1-ium-3-yl)propanedioate is 348.10 g/mol.
Where can I buy Diethyl 2-(4-nitro-1-oxidoquinolin-1-ium-3-yl)propanedioate?
You can request a quote for Diethyl 2-(4-nitro-1-oxidoquinolin-1-ium-3-yl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(4-nitro-1-oxidoquinolin-1-ium-3-yl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(4-nitro-1-oxidoquinolin-1-ium-3-yl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.